3-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-3-(3-nitrophenyl)propanoic acid
Chemical Structure Depiction of
3-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-3-(3-nitrophenyl)propanoic acid
3-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-3-(3-nitrophenyl)propanoic acid
Compound characteristics
| Compound ID: | 8015-0217 |
| Compound Name: | 3-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-3-(3-nitrophenyl)propanoic acid |
| Molecular Weight: | 464.26 |
| Molecular Formula: | C20 H15 Cl2 N3 O6 |
| Smiles: | Cc1c(C(NC(CC(O)=O)c2cccc(c2)[N+]([O-])=O)=O)c(c2c(cccc2[Cl])[Cl])no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0429 |
| logD: | 0.4051 |
| logSw: | -3.4443 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.008 |
| InChI Key: | INKFKGQOLPPSKY-HNNXBMFYSA-N |